CAS 2968-33-4 3,3,3-Trifluoropropylamine hydrochloride (HCID 25210505)

基本情報

CAS: 2968-33-4
標準SMILES: Cl.NCCC(F)(F)F
InChIKey: IGOPOYHPIKTQSS-UHFFFAOYSA-N
分子式: C3H7ClF3N
平均分子量: 149.54 g/mol
単同位体質量: 149.02191156

名称と識別子

優先名称: 3,3,3-Trifluoropropylamine hydrochloride
IUPAC: 3,3,3-trifluoropropan-1-amine;hydrochloride
現地名: 3,3,3-トリフルオロ-N-プロピルアミン塩酸塩
英語名: 3,3,3-Trifluoropropylamine hydrochloride
分子式: C3H7ClF3N
分子量: 149.54

名称と別名

3,3,3-Trifluoropropylamine hydrochloride1-Propanamine, 3,3,3-trifluoro-, hydrochloride (1:1)RefChem:485098671-581-12968-33-43,3,3-trifluoropropan-1-amine hydrochlorideC3H7ClF3NMFCD002367253,3,3-Trifluoro-1-propylamine Hydrochloride3,3,3-trifluoropropan-1-amine;hydrochlorideSCHEMBL4586533,3,3-TRIFLUOROPROPAN-1-AMINE HCL

名称をさらに表示

3,3,3-トリフルオロ-N-プロピルアミン塩酸塩3,3,3-トリフルオロプロピルアミン塩酸塩3,3,3-TRIFLUOROPROPYLAMINE HCL1-Propanamine, 3,3,3-trifluoro-, HCl3,3,3-Trifluoropropylaminehydrochloride97%2-TRIFLUOROMETHYL-ETHYLAMINE HYDROCHLORIDE3,3,3-TRIFLUORO-N-PROPYLAMINE HYDROCHLORIDE3,3,3-Trifluoro-1-propanamine hydrochloride

1-Propanamine, 3,3,3-trifluoro-, hydrochloride1-Propanamine, 3,DTXSID306491033,3,3-Trifluoropropylamine, HClSBB0866673,3,3-trifluoropropylamine, chlorideAKOS0050638973,3,3-trifluoropropylammonium;chloride

データベース識別子

CAS: 2968-33-4
PubChem CID: 25210505
DTXSID: DTXSID30649103
EC Number: 671-581-1

物性

構造計算による物性

極性表面積: 26 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 48.6

物理化学的性質

融点: 222 · 222-223
比重(密度): 5.2 · 5.2
貯蔵温度: Inert atmosphere,Room Temperature
外見: crystalline solid
色: Off-white
InChI: InChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKey: IGOPOYHPIKTQSS-UHFFFAOYSA-N
SMILES: C(CN)C(F)(F)F.Cl
CAS データベース: 2968 · 2968-33-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

安全データ

wgk: WGK 3
hs_code: 2921199990
risk_code: 20/21/22-52-41-37/38-22
hazard_code: Xi,Xn
safety_code: 36/37/39-39-26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials